1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane

C16H16N2S — CID 123913697

IUPAC1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane
SMILESC/S(=N\c1cccc2c1NCC=C2)c1ccccc1
InChIInChI=1S/C16H16N2S/c1-19(14-9-3-2-4-10-14)18-15-11-5-7-13-8-6-12-17-16(13)15/h2-11,17H,12H2,1H3
InChIKeyNAECPIXUNHHKGR-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.25
Rot. Bonds2

About 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane

1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane (PubChem CID 123913697) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane.

Molecular Properties

Compound Name1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane
PubChem CID123913697
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane
SMILESC/S(=N\c1cccc2c1NCC=C2)c1ccccc1
InChIInChI=1S/C16H16N2S/c1-19(14-9-3-2-4-10-14)18-15-11-5-7-13-8-6-12-17-16(13)15/h2-11,17H,12H2,1H3
InChIKeyNAECPIXUNHHKGR-UHFFFAOYSA-N
XLogP4.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1,2,9,10-tetrahydro-1,10-phenanthroline
CID 91142071
8-nitro-1,2-dihydroquinoline
CID 11008448
1,2-dihydroquinoline
CID 5231402
8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline
CID 146647331
1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline
CID 71133090
calcium;1,2-dihydroquinoline;carbonate
CID 175318254
2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid
CID 67379737
2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline
CID 67790068
9,10-didehydro-1,2-dihydrobenzo[h]quinoline
CID 129268922
CID 146184593
CID 146184593
acridine;1,2-dihydroquinoline
CID 174729818
9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
CID 170411869

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane?
The IUPAC name of 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane (CID 123913697) is 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane.
What is the SMILES notation for 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane?
The canonical SMILES for 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane is C/S(=N\c1cccc2c1NCC=C2)c1ccccc1.
What is the InChIKey of 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane?
The InChIKey is NAECPIXUNHHKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-19(14-9-3-2-4-10-14)18-15-11-5-7-13-8-6-12-17-16(13)15/h2-11,17H,12H2,1H3.
What are the key properties of 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane?
1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane has a molecular weight of 268.38 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane is sourced from PubChem (CID 123913697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).